3-butan-2-yloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-butan-2-yloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: N-[(3-phenylpropanoylamino)carbamothioyl]-3-sec-butoxy-benzamide CAS Name: 3-butan-2-yloxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butan-2-yloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-3-15(2)27-18-11-7-10-17(14-18)20(26)22-21(28)24-23-19(25)13-12-16-8-5-4-6-9-16/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,25)(H2,22,24,26,28)